4-N-[(3-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine

C15H15N5O — CID 5328088

IUPAC4-N-[(3-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESCOc1cccc(CNc2ncnc3cc(N)ncc23)c1
InChIInChI=1S/C15H15N5O/c1-21-11-4-2-3-10(5-11)7-18-15-12-8-17-14(16)6-13(12)19-9-20-15/h2-6,8-9H,7H2,1H3,(H2,16,17)(H,18,19,20)
InChIKeyOWBQYDARFOLTFW-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.23
Rot. Bonds4

About 4-N-[(3-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine

4-N-[(3-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine (PubChem CID 5328088) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-N-[(3-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-[(3-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
PubChem CID5328088
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name4-N-[(3-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESCOc1cccc(CNc2ncnc3cc(N)ncc23)c1
InChIInChI=1S/C15H15N5O/c1-21-11-4-2-3-10(5-11)7-18-15-12-8-17-14(16)6-13(12)19-9-20-15/h2-6,8-9H,7H2,1H3,(H2,16,17)(H,18,19,20)
InChIKeyOWBQYDARFOLTFW-UHFFFAOYSA-N
XLogP2.23
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-[(3-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine (CID 5328088) is 4-N-[(3-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-[(3-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-[(3-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine is COc1cccc(CNc2ncnc3cc(N)ncc23)c1.
What is the InChIKey of 4-N-[(3-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine?
The InChIKey is OWBQYDARFOLTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-21-11-4-2-3-10(5-11)7-18-15-12-8-17-14(16)6-13(12)19-9-20-15/h2-6,8-9H,7H2,1H3,(H2,16,17)(H,18,19,20).
What are the key properties of 4-N-[(3-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine?
4-N-[(3-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine has a molecular weight of 281.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 5328088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).